N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

C18H16FN3O2 — CID 110373118

IUPACN-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)cc2C)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-11-17(18(23)20-16-6-4-3-5-15(16)19)21-22(12)13-7-9-14(24-2)10-8-13/h3-11H,1-2H3,(H,20,23)
InChIKeyGVIXNMYXMIFRCM-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.58
Rot. Bonds4

About N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide

N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110373118) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
PubChem CID110373118
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)cc2C)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-11-17(18(23)20-16-6-4-3-5-15(16)19)21-22(12)13-7-9-14(24-2)10-8-13/h3-11H,1-2H3,(H,20,23)
InChIKeyGVIXNMYXMIFRCM-UHFFFAOYSA-N
XLogP3.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
N-(2-ethoxyphenyl)-1-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373235
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
6-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100738
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 167831436

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide (CID 110373118) is N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccccc3F)cc2C)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is GVIXNMYXMIFRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-11-17(18(23)20-16-6-4-3-5-15(16)19)21-22(12)13-7-9-14(24-2)10-8-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110373118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).